2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide

C22H32N4O3S — CID 97247373

IUPAC2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide
SMILESCOC[C@H](O)CN1CCC(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C22H32N4O3S/c1-16-4-5-19(12-17(16)2)26-11-8-23-22(26)30-15-21(28)24-18-6-9-25(10-7-18)13-20(27)14-29-3/h4-5,8,11-12,18,20,27H,6-7,9-10,13-15H2,1-3H3,(H,24,28)/t20-/m1/s1
InChIKeyWXGWDSHPHQFXMU-HXUWFJFHSA-N
MW432.59 g/mol
LogP2.17
Rot. Bonds9

About 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide (PubChem CID 97247373) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide
PubChem CID97247373
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide
SMILESCOC[C@H](O)CN1CCC(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C22H32N4O3S/c1-16-4-5-19(12-17(16)2)26-11-8-23-22(26)30-15-21(28)24-18-6-9-25(10-7-18)13-20(27)14-29-3/h4-5,8,11-12,18,20,27H,6-7,9-10,13-15H2,1-3H3,(H,24,28)/t20-/m1/s1
InChIKeyWXGWDSHPHQFXMU-HXUWFJFHSA-N
XLogP2.17
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]acetamide
CID 75392757
methyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 40657969
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 46677215
2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56569193
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17470138
tert-butyl 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 134058214
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30802016

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide (CID 97247373) is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide is COC[C@H](O)CN1CCC(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide?
The InChIKey is WXGWDSHPHQFXMU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-16-4-5-19(12-17(16)2)26-11-8-23-22(26)30-15-21(28)24-18-6-9-25(10-7-18)13-20(27)14-29-3/h4-5,8,11-12,18,20,27H,6-7,9-10,13-15H2,1-3H3,(H,24,28)/t20-/m1/s1.
What are the key properties of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide?
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide has a molecular weight of 432.59 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 97247373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).